methyl 3-methoxy-4-[[1-(2-methylpropylcarbamoyl)indol-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 3-methoxy-4-[[1-(2-methylpropylcarbamoyl)indol-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[1-(isobutylcarbamoyl)indol-1-ium-1-yl]methyl]-3-methoxy-benzoate CAS Name: 3-methoxy-4-[[1-[(2-methylpropylamino)-oxomethyl]-1-indol-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-methoxy-4-[[1-(2-methylpropylcarbamoyl)indol-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[1-(isobutylcarbamoyl)indol-1-ium-1-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C23H27N2O4+ MolecularWeight: 395.47148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)[N+]1(C=CC2=CC=CC=C21)CC3=C(C=C(C=C3)C(=O)OC)OC

Isomeric SMILES

CC(C)CNC(=O)[N+]1(C=CC2=CC=CC=C21)CC3=C(C=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C23H26N2O4/c1-16(2)14-24-23(27)25(12-11-17-7-5-6-8-20(17)25)15-19-10-9-18(22(26)29-4)13-21(19)28-3/h5-13,16H,14-15H2,1-4H3/p+1